Mobile Molecular DataSheet
4+

Screenshots

Description

The Mobile Molecular DataSheet (MMDS) provides a way to view and edit chemical structure diagrams on an iPhone, iPod or iPad. The unique and innovative sketcher is optimized for the touchscreen interface, and allows professional quality molecular structures to be drawn quickly and efficiently.

Molecules are organized in collections of datasheets. Individual molecules, or whole datasheets, can be shared via iTunes or sent by email, using the standard MDL MOL and SDfile formats, which allows the data to be integrated into any external workflow.

The app comes with a collection of template libraries, which can be customized to make drawing of new structures even more convenient.

MMDS is the ideal companion app for any scientist or student who needs to draw chemical structures when a desktop or laptop computer is not available.

What's New

Version History

1.6.11

Feb 5, 2018

Maintenance release.

1.6.10

Nov 13, 2017

Updated for iOS 11.

1.6.8

Jan 6, 2017

Bugfixes.

1.6.7

Jan 14, 2016

Fixed a bug that was preventing file importing in iOS 9.

1.6.6

Nov 24, 2015

Updated for iOS 9, and using full screen size of iPad Pro.

1.6.5

Sep 21, 2015

A news ticker has been added to the bottom right corner of the main screen, with uptodate information about developments in the mobile chemistry space. It can be switched on or off using the configuration settings.

1.6.4

Sep 12, 2015

Maintenance release.

1.6.3

Jun 29, 2015

Fixed a bug regarding importing of some Bayesian models.

1.6.2

May 19, 2015

Can now export molecules and reactions as PDF files, which can be copied to the clipboard or attached to outgoing emails. PDF-on-clipboard is an easy way to transfer vector graphics into other apps, such as Keynote and Pages.

Loading time performance has been improved by making the Bayesian models parsed independently.

1.6.1

Mar 10, 2015

Bayesian models can now be imported: the 8 prepackaged models can be supplemented with models built with other software.

1.6.0

Feb 6, 2015

Property calculation now includes Bayesian models. For individual models, the results are shown as a probability estimate, and a molecular overlay showing the atoms that contributed (ECFP6) fingerprints to the better/worse features. For whole datasheets, probabilities are calculated and stored in a column for each row. In this version, models included are: Solubility, Lipinski Probelike, hERG, KCNQ1, Bubonic Plague, Chagas Disease, Malaria and Tuberculosis.

The ability to import and create new Bayesian models will be added in a followup release.

The app has also been extended to integrate with the iCloud document picker extensions: files can be imported or exported to iCloud folders, as well as other compatible file sharing services, like Dropbox.

1.5.9

Jan 18, 2015

A number of structure-based properties can be calculated within the app. For one molecule at a time, visual previews are available for: molecular formula & weight, heavy atoms, H-bond acceptors & donors, rotatable bonds, log P, molar refractivity, atomic valence violations, stereochemistry (R/S and E/Z), tautomers, PAINS filter matches, and mass distribution. These properties can also be calculated for whole datasheets.

1.5.8

Jan 8, 2015

Maintenance release: bugfixes.

1.5.7

Dec 4, 2014

Updated the title banner for editing molecules, reactions and datasheets. Can now rename individual entries from the structure editor.

1.5.6

Nov 7, 2014

Molecular sketcher buttons now adapt more specifically to different phone/tablet sizes, including structure template menus shown on the right hand side for the iPad. Tooltips are now more closely integrated into the sketching process, which makes learning the interface more effective.

1.5.5

Oct 1, 2014

Upgraded to iOS 8 and the new iPhone form factors.

1.5.4

Sep 3, 2014

Abbreviation editor has been improved, and now also supports superscripts (e.g. for labels like iPr, and isotopes).

1.5.3

Aug 19, 2014

Minor bugfixes. Reactions can now be exported as a single MDL Molfile, with all components crammed into the structure.